B2DG3N -OEChem-04012116142D 42 46 0 1 0 0 0 0 0999 V2000 6.7094 -0.1546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.2504 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3758 1.4287 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2438 0.2123 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3701 1.3224 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3000 1.5160 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.9456 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 -0.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.4457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 0.3096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 0.5158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4892 -0.0644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5763 0.3439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2992 0.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8316 1.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2452 1.8241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8263 1.1168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6535 2.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2346 2.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6482 2.8397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7977 -2.5622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7227 -1.8604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7227 -1.0309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -2.8397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 0.9293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 0.3970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.2556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.6357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1416 -0.5778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9344 -0.4959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4334 -0.3780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1898 0.6146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2900 3.2391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8513 2.0934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9014 3.4057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 18 1 0 0 0 0 2 7 1 0 0 0 0 2 10 1 0 0 0 0 2 29 1 0 0 0 0 3 5 1 0 0 0 0 3 14 2 0 0 0 0 4 19 1 0 0 0 0 4 20 1 0 0 0 0 4 38 1 0 0 0 0 5 18 2 0 0 0 0 6 19 2 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 7 26 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 14 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 15 2 0 0 0 0 12 32 1 0 0 0 0 13 16 2 0 0 0 0 13 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 21 23 2 0 0 0 0 22 24 1 0 0 0 0 22 39 1 0 0 0 0 23 25 1 0 0 0 0 23 40 1 0 0 0 0 24 25 2 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 M END $$$$